Geometry & MOs

Info

ID:	242631
PubChem CID:	97857632
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	336.04734
ΔH_f, kcal/mol:	50.08
Dipole, Da:	7.72
IP(EA), eV:	-8.67(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[[(5-bromoquinolin-8-yl)methylamino]methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1CN(CCO1)C)NCC2=CN(N=C2C3=CC=C(C=C3)C#N)C

DOS

IR

Vibrations